VLHFNGSBSOWHQS-UHFFFAOYSA-N

Name: VLHFNGSBSOWHQS-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₇F₃N₈O — CID 122181639

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide

SMILESCn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)(F)F)n1

InChIInChI=1S/C16H17F3N8O/c1-25-9-11(13(24-25)16(17,18)19)22-15(28)10-8-21-27-5-2-12(23-14(10)27)26-6-3-20-4-7-26/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,22,28)

InChIKeyVLHFNGSBSOWHQS-UHFFFAOYSA-N

MW394.36 g/mol

LogP1.14

Rot. Bonds3

About VLHFNGSBSOWHQS-UHFFFAOYSA-N

VLHFNGSBSOWHQS-UHFFFAOYSA-N (PubChem CID 122181639) has the molecular formula C₁₆H₁₇F₃N₈O and a molecular weight of 394.36 g/mol. Its IUPAC name is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name	VLHFNGSBSOWHQS-UHFFFAOYSA-N
PubChem CID	122181639
Molecular Formula	C₁₆H₁₇F₃N₈O
Molecular Weight	394.36 g/mol
Exact Mass	394.15
IUPAC Name	N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES	Cn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)(F)F)n1
InChI	InChI=1S/C16H17F3N8O/c1-25-9-11(13(24-25)16(17,18)19)22-15(28)10-8-21-27-5-2-12(23-14(10)27)26-6-3-20-4-7-26/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,22,28)
InChIKey	VLHFNGSBSOWHQS-UHFFFAOYSA-N
XLogP	1.14
TPSA	92.38 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	3
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.36
LogP ≤ 5	1.14
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of VLHFNGSBSOWHQS-UHFFFAOYSA-N?

The IUPAC name of VLHFNGSBSOWHQS-UHFFFAOYSA-N (CID 122181639) is N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-piperazin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for VLHFNGSBSOWHQS-UHFFFAOYSA-N?

The canonical SMILES for VLHFNGSBSOWHQS-UHFFFAOYSA-N is Cn1cc(NC(=O)c2cnn3ccc(N4CCNCC4)nc23)c(C(F)(F)F)n1.

What is the InChIKey of VLHFNGSBSOWHQS-UHFFFAOYSA-N?

The InChIKey is VLHFNGSBSOWHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N8O/c1-25-9-11(13(24-25)16(17,18)19)22-15(28)10-8-21-27-5-2-12(23-14(10)27)26-6-3-20-4-7-26/h2,5,8-9,20H,3-4,6-7H2,1H3,(H,22,28).

What are the key properties of VLHFNGSBSOWHQS-UHFFFAOYSA-N?

VLHFNGSBSOWHQS-UHFFFAOYSA-N has a molecular weight of 394.36 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for VLHFNGSBSOWHQS-UHFFFAOYSA-N is sourced from PubChem (CID 122181639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 122181639 — identifiers, structure, computed properties (public domain)

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